The polarizing forces of water
A brief review of popular polarizable potentials for water, including both those parameterized to fit experimental properties, typically of the liquid, or electronic structure calculations on small clusters, is presented. The recently developed POLIR potential, which was parameterized to reproduce both ab initio calculations on clusters and the experimental liquid IR spectrum, is discussed, and some new results for both clusters and the liquid phase are shown, indicating its transferable nature. © 2012 Springer-Verlag.
Publication Source (Journal or Book title)
Theoretical Chemistry Accounts
Kumar, R., & Keyes, T. (2012). The polarizing forces of water. Theoretical Chemistry Accounts, 131 (3), 1-10. https://doi.org/10.1007/s00214-012-1197-8